ilib diverse creates virtual drug-like compound libraries using a heuristic fragment combination approach. ilib diverse is intuitive to use, and offers a lot more than the essential features for virtual library generation. Compounds are built by combining user-defined fragments according to state-of-the-art chemical knowledge. Various user-adjustable contraints allow a combinatorial approach providing good structural diversity on the one hand and fast, automated lead structure modification on the other hand. Monte Carlo techniques guarantee good structural diversity in both cases.
|File Size||31.83 MB|
|Operating System||Windows 98 Windows Windows NT Windows 2003 Windows XP Windows 2000|